Abstract
Silver cyanamide (Ag2NCN), as one of semiconductor metal cyanamides, understanding the structure-optical property links in Ag2NCN is critical for its applications. Under high pressure, Ag2NCN exhibits a redshift of the bandgap with increasing pressure up to 23.5 GPa, which is related to the bond stretching of C-N in Ag2NCN and amorphization. The XRD analysis of the Ag2NCN structure reveals that there is no structural transition and highly compressible, with a bulk modulus of 25 GPa in compression. The Raman and IR spectra indicate that the polymerization transition is associated with the cyanamides groups forming irreversible amorphous sp2 CN bonds.
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